tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

C12H16F3N3O2 — CID 58417754

IUPACtert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)18-5-4-17-6-8(12(13,14)15)16-9(17)7-18/h6H,4-5,7H2,1-3H3
InChIKeyITYNYHBYPRCSCN-UHFFFAOYSA-N
MW291.27 g/mol
LogP2.65
Rot. Bonds

About tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate

tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (PubChem CID 58417754) has the molecular formula C12H16F3N3O2 and a molecular weight of 291.27 g/mol. Its IUPAC name is tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
PubChem CID58417754
Molecular FormulaC12H16F3N3O2
Molecular Weight291.27 g/mol
Exact Mass291.12
IUPAC Nametert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCn2cc(C(F)(F)F)nc2C1
InChIInChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)18-5-4-17-6-8(12(13,14)15)16-9(17)7-18/h6H,4-5,7H2,1-3H3
InChIKeyITYNYHBYPRCSCN-UHFFFAOYSA-N
XLogP2.65
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 3-bromo-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
CID 70700366
tert-Butyl 3-formyl-5,6-dihydroimidazo[1,5-a]pyrazine-7(8H)-carboxylate
CID 76849820
tert-butyl 3-methyl-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-7-carboxylate
CID 91666796
tert-butyl 3-amino-5H,6H,7H,8H-imidazo(1,5-a)pyrazine-7-carboxylate hydrochloride
CID 165589107
Tert-butyl 4-methyl-1h-imidazole-1-carboxylate
CID 21256699
4-[2-(5-Trifluoromethylpyrazinyl)]-1-piperazinecarboxylic acid tert-butyl ester
CID 53485512
Imidazo[1,5-a]pyrazine-7(8h)-carboxylic acid,5,6-dihydro-3-(trifluoromethyl)-,1,1-dimethylethyl ester
CID 57518450
7-ethyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 58157149
7-tert-butyl-2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 59539567
tert-butyl 4-(4-(trifluoromethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67112037
tert-butyl 4-(4-(trifluoromethyl)-1-(2-pyrrolidin-1-ylethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67954292
tert-butyl 4-(5-(trifluoromethyl)-1-(2-pyrrolidin-1-ylethyl)-1H-imidazol-2-yl)piperidine-1-carboxylate
CID 67955124

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The IUPAC name of tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate (CID 58417754) is tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate.
What is the SMILES notation for tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The canonical SMILES for tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is CC(C)(C)OC(=O)N1CCn2cc(C(F)(F)F)nc2C1.
What is the InChIKey of tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
The InChIKey is ITYNYHBYPRCSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O2/c1-11(2,3)20-10(19)18-5-4-17-6-8(12(13,14)15)16-9(17)7-18/h6H,4-5,7H2,1-3H3.
What are the key properties of tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate?
tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate has a molecular weight of 291.27 g/mol, XLogP of 2.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxylate is sourced from PubChem (CID 58417754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).